2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate

C14H26N2O6 — CID 118631029

IUPAC2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate
SMILESCC(=O)OCCN(C)CN(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C14H26N2O6/c1-12(17)20-8-5-15(4)11-16(6-9-21-13(2)18)7-10-22-14(3)19/h5-11H2,1-4H3
InChIKeyNPHWRGJFIWLOPF-UHFFFAOYSA-N
MW318.37 g/mol
LogP-0.13
Rot. Bonds11

About 2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate

2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate (PubChem CID 118631029) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate.

Molecular Properties

Compound Name2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate
PubChem CID118631029
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate
SMILESCC(=O)OCCN(C)CN(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C14H26N2O6/c1-12(17)20-8-5-15(4)11-16(6-9-21-13(2)18)7-10-22-14(3)19/h5-11H2,1-4H3
InChIKeyNPHWRGJFIWLOPF-UHFFFAOYSA-N
XLogP-0.13
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate?
The IUPAC name of 2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate (CID 118631029) is 2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate.
What is the SMILES notation for 2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate?
The canonical SMILES for 2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate is CC(=O)OCCN(C)CN(CCOC(C)=O)CCOC(C)=O.
What is the InChIKey of 2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate?
The InChIKey is NPHWRGJFIWLOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6/c1-12(17)20-8-5-15(4)11-16(6-9-21-13(2)18)7-10-22-14(3)19/h5-11H2,1-4H3.
What are the key properties of 2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate?
2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate has a molecular weight of 318.37 g/mol, XLogP of -0.13, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-acetyloxyethyl)amino]methyl-methylamino]ethyl acetate is sourced from PubChem (CID 118631029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).